N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]quinolin-5-amine

Systemtic Name: N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]quinolin-5-amine Openeye Name: N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]quinolin-5-amine CAS Name: N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-4-pyrimidinyl]-5-quinolinamine IUPAC Name: N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitropyrimidin-4-yl]quinolin-5-amine Traditional Name: [6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-(5-quinolyl)amine Formula: C22H18N6O2 MolecularWeight: 398.41732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)NC4=CC=CC5=C4C=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)NC4=CC=CC5=C4C=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C22H18N6O2/c29-28(30)20-21(26-19-9-3-8-18-17(19)7-4-11-23-18)24-14-25-22(20)27-12-10-15-5-1-2-6-16(15)13-27/h1-9,11,14H,10,12-13H2,(H,24,25,26)